CID 21852

Iodinated glycerol

Structural Information

Molecular Formula

C₆H₁₁IO₃

SMILES

CC(C1OCC(O1)CO)I

InChI

InChI=1S/C6H11IO3/c1-4(7)6-9-3-5(2-8)10-6/h4-6,8H,2-3H2,1H3

InChIKey

LTINPJMVDKPJJI-UHFFFAOYSA-N

Compound name

[2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 21
References: 11843
Patents: 257.97528 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.98256	144.4
[M+Na]+	280.96450	143.9
[M-H]-	256.96800	140.8
[M+NH4]+	276.00910	159.1
[M+K]+	296.93844	151.2
[M+H-H2O]+	240.97254	136.3
[M+HCOO]-	302.97348	158.7
[M+CH3COO]-	316.98913	180.6
[M+Na-2H]-	278.94995	136.5
[M]+	257.97473	141.9
[M]-	257.97583	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe